FComEx: 1H-Indole-3-methanol (PC000709)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:06 UTC

Update date

2017-01-19 02:36:33 UTC

FoodComEx ID

PC000709

FoodDB Record

FDB000939

Chemical Information

Name

1H-Indole-3-methanol

Description

Produced from glucosinolates in Brassica species on crushing or cooking. Potential nutriceutical 16082211).; Indole-3-carbinol is produced by members of the family Cruciferae and particularly members of the genus Brassica, for example, cabbage, radishes, cauliflower, broccoli, Brussels sprouts, and daikon). Indole-3-carbinol is metabolized to a number of products, including the dimeric 3,3'-diindolylmethane. Both 3,3'-diindolylmethane and Indole-3-carbinol are thought to have biological effects. Indole-3-carbinol is a natural chemopreventive compound. It has multiple anticarcinogenic and antitumorigenic properties by suppressing the proliferation of certain cancer cells, including breast cancer, prostate cancer, endometrial cancer, colon cancer, and leukemic cells (PMID: 16634522. 1H-Indole-3-methanol is found in many foods, some of which are broccoli, brassicas, cabbage, and brussel sprouts.

CAS Number

700-06-1

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
1H-indol-3-ylmethanol	biospider
1H-Indole-3-methanol (9CI)	biospider
3-(Hydroxymethyl)indole	biospider
3-Hydroxymethylindole	db_source
3-Indolecarbinol	biospider
3-Indolemethanol	biospider
3-indolylcarbinol	biospider
3-Indolylmethanol	biospider
C9H9NO	biospider
I3C cpd	biospider
Indinol	biospider
Indole-3-carbinol	db_source
indole-3-methanol	biospider
PREVENTION 4 (INDOLE-3-CARBINOL)	biospider

Chemical Formula

C9H9NO

IUPAC name

(1H-indol-3-yl)methanol

InChI Identifier

InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2

InChI Key

IVYPNXXAYMYVSP-UHFFFAOYSA-N

Isomeric SMILES

OCC1=CNC2=CC=CC=C12

Average Molecular Weight

147.1739

Monoisotopic Molecular Weight

147.068413915

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents